N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0776 |
| Compound Name: | N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.278 |
| logD: | 3.2014 |
| logSw: | -3.9987 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.481 |
| InChI Key: | XRHGKECIDNOXQY-UHFFFAOYSA-N |